Molecule

ID:29808

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂F₄
Molecular Mass
220.2065928
Exact Mass
220.08751326
Charge
0
InChI
InChI=1S/C11H12F4/c12-10-6-4-9(5-7-10)3-1-2-8-11(13,14)15/h4-7H,1-3,8H2
InChIKey
ZDNVDNUPMPJJTI-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)CCCCC(F)(F)F
Isomeric Smiles
c1(ccc(cc1)CCCCC(F)(F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.5978055
LogD (pH = 7.4)
4.5978055
Log P
4.5978055
Molar Refractivity
50.5029
Polarizability
18.471268
Polar Surface Area
0.0
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation